SCHEMBL4554458

SCHEMBL4554458

C1=Cc2c(sc3c(-c4ccccc4)cccc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.42
MCL1 Q07820 1/20 0.33
ALOX5 P09917 1/20 0.32
TDO2 P48775 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21687081 0.91 LIMK1 (0.35) LIMK1
SCHEMBL21771995 0.87 LIMK1 (0.32) LIMK1ALOX5
SCHEMBL17779843 0.86 ALOX5 (0.35) LIMK1ALOX5
SCHEMBL15212967 0.85 ALOX5 (0.32) LIMK1ALOX5
SCHEMBL10116986 0.84 KDM4E (0.34) LIMK1
SCHEMBL19444992 0.84 ALOX5 (0.40) LIMK1ALOX5
SCHEMBL19157426 0.83 ALOX5 (0.43) LIMK1ALOX5
SCHEMBL12328781 0.82 MGLL (0.37) ALOX5
SCHEMBL12698454 0.82 ALOX5 (0.38) LIMK1ALOX5
SCHEMBL22004804 0.81 ESR1 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450975-A2 Compound for organic optoelectronic device and organic light emitting diode including the same Cheil Industries Inc. (KR) 2012-05-09 EP disclosed
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080166594-A1 BENZOTHIOPHENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE MAKING USE OF THE SAME CYBA, BPNT1, TYR LIMK1 167/4885MCL1 3348/4885ALOX5 1860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.